کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
503615 863787 2006 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Some corrections to GRASP92
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Some corrections to GRASP92
چکیده انگلیسی

The GRASP92 package is a suite of programs for atomic structure calculations based on Dirac–Hartree–Fock theory. In this paper we report corrections that concern three issues. Corrections to a logical error are reported that affect extended optimal level (EOL) calculations important for correlation studies. The removal of a limitation on diagonal energy parameters is recommended for correlation orbitals. Another correction removes an error in the evaluation of one-electron matrix elements for tensors of rank greater than zero. This error affects electric quadrupole (E2) transition probabilities, off-diagonal hyperfine parameters, and quadrupole moments.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 175, Issues 11–12, 1–15 December 2006, Pages 738–744
نویسندگان
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